4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C17H17N5 — CID 112860925

IUPAC4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(c1ccccc1)c1cc(NCc2ccncc2)ncn1
InChIInChI=1S/C17H17N5/c1-22(15-5-3-2-4-6-15)17-11-16(20-13-21-17)19-12-14-7-9-18-10-8-14/h2-11,13H,12H2,1H3,(H,19,20,21)
InChIKeyPKCRBSYDZOVMLE-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.25
Rot. Bonds5

About 4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112860925) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112860925
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(c1ccccc1)c1cc(NCc2ccncc2)ncn1
InChIInChI=1S/C17H17N5/c1-22(15-5-3-2-4-6-15)17-11-16(20-13-21-17)19-12-14-7-9-18-10-8-14/h2-11,13H,12H2,1H3,(H,19,20,21)
InChIKeyPKCRBSYDZOVMLE-UHFFFAOYSA-N
XLogP3.25
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 102080311
4-N-methyl-4-N-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893868
6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350320
2-[[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264833
4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 166272871
6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863765
4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265479
N-[6-(benzylamino)pyrimidin-4-yl]-N-methylnitrous amide
CID 102450371
4-N-methyl-6-N-[(4-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112859168
6-N-[2-(dimethylamino)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112857392
2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112937366
4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859221

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 112860925) is 4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is CN(c1ccccc1)c1cc(NCc2ccncc2)ncn1.
What is the InChIKey of 4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is PKCRBSYDZOVMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-22(15-5-3-2-4-6-15)17-11-16(20-13-21-17)19-12-14-7-9-18-10-8-14/h2-11,13H,12H2,1H3,(H,19,20,21).
What are the key properties of 4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 291.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112860925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).